2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid

C8H12ClNO2 — CID 76882259

IUPAC2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid
SMILESO=C(O)CN(CC=CCl)C1CC1
InChIInChI=1S/C8H12ClNO2/c9-4-1-5-10(6-8(11)12)7-2-3-7/h1,4,7H,2-3,5-6H2,(H,11,12)
InChIKeyDJURQAKUSJYXGC-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.29
Rot. Bonds5

About 2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid

2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid (PubChem CID 76882259) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid
PubChem CID76882259
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid
SMILESO=C(O)CN(CC=CCl)C1CC1
InChIInChI=1S/C8H12ClNO2/c9-4-1-5-10(6-8(11)12)7-2-3-7/h1,4,7H,2-3,5-6H2,(H,11,12)
InChIKeyDJURQAKUSJYXGC-UHFFFAOYSA-N
XLogP1.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid
CID 60835424
2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
CID 57287065
2-[(4,4-dimethylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285257
2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65065934
3-[cyclopropyl(2,3-dichloroprop-2-enyl)amino]propanoic acid
CID 79172969
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945026
2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 54945400
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[carboxymethyl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65066014
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid?
The IUPAC name of 2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid (CID 76882259) is 2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid.
What is the SMILES notation for 2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid?
The canonical SMILES for 2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid is O=C(O)CN(CC=CCl)C1CC1.
What is the InChIKey of 2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid?
The InChIKey is DJURQAKUSJYXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c9-4-1-5-10(6-8(11)12)7-2-3-7/h1,4,7H,2-3,5-6H2,(H,11,12).
What are the key properties of 2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid?
2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid has a molecular weight of 189.64 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid is sourced from PubChem (CID 76882259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).